# Fileset
[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2e6e8e93-d69f-416c-8af7-2bb0bc999f3b/download)
## Creator
[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)
## Rights
Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)
## Other metadata
[Ab-initio phonon calculation for Rb4P21I / Cmcm (63) / materials id 31279](https://mdr.nims.go.jp/datasets/17012480-57ea-4eb2-9a5f-75e6a236876c)
## Fulltext
vasp-settings/KPOINTS-forceAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt 84P 30.97400000 5.00000000 PAW_PBE P 06Sep2000 16Rb 85.46800000 7.00000000 PAW_PBE Rb_pv 06Sep2000 4I 126.90400000 7.00000000 PAW_PBE I 08Apr2002 vasp-settings/INCAR-relax PREC = Accurate GGA = PS IBRION = 2 NSW = 20 NELMIN = 5 ISIF = 3 ENCUT = 331.552000 EDIFF = 1.000000e-08 EDIFFG = -1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. 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0.7198937200000000 0.7745034900000000 0.2500000000000000 0.7198937200000000 0.2254965100000000 0.7500000000000000 0.2801062800000000 0.7745034900000000 0.2500000000000000 0.1724900000000000 0.0611367200000000 0.7500000000000000 0.8275100000000000 0.9388632800000000 0.2500000000000000 0.8275100000000000 0.0611367200000000 0.7500000000000000 0.1724900000000000 0.9388632800000000 0.2500000000000000 0.5741343100000000 0.7599258100000000 0.8654164600000001 0.4258656900000000 0.2400741900000000 0.3654164600000000 0.4258656900000000 0.7599258100000000 0.6345835399999999 0.5741343100000000 0.2400741900000000 0.1345835400000000 0.4258656900000000 0.2400741900000000 0.1345835400000000 0.5741343100000000 0.7599258100000000 0.6345835399999999 0.5741343100000000 0.2400741900000000 0.3654164600000000 0.4258656900000000 0.7599258100000000 0.8654164600000001 0.6503936299999999 0.6635643300000000 0.9247217300000000 0.3496063700000000 0.3364356700000000 0.4247217300000000 0.3496063700000000 0.6635643300000000 0.5752782700000000 0.6503936299999999 0.3364356700000000 0.0752782700000000 0.9139569000000000 0.1578383400000000 0.2500000000000000 0.0860431000000000 0.8421616600000000 0.7500000000000000 0.0860431000000000 0.1578383400000000 0.2500000000000000 0.9139569000000000 0.8421616600000000 0.7500000000000000 0.1199193000000000 0.5000000000000000 0.5000000000000000 0.8800806999999999 0.5000000000000000 0.0000000000000000 0.8800806999999999 0.5000000000000000 0.5000000000000000 0.1199193000000000 0.5000000000000000 0.0000000000000000 0.4139569000000000 0.6578383400000001 0.2500000000000000 0.5860430999999999 0.3421616600000000 0.7500000000000000 0.5860430999999999 0.6578383400000001 0.2500000000000000 0.4139569000000000 0.3421616600000000 0.7500000000000000 0.6199193000000001 0.0000000000000000 0.5000000000000000 0.3800807000000000 0.0000000000000000 0.0000000000000000 0.3800807000000000 0.0000000000000000 0.5000000000000000 0.6199193000000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.3992580400000000 0.2500000000000000 0.0000000000000000 0.6007419600000000 0.7500000000000000 0.5000000000000000 0.8992580400000000 0.2500000000000000 0.5000000000000000 0.1007419600000000 0.7500000000000000vasp-settings/INCAR-force PREC = Accurate GGA = PS IBRION = -1 NELMIN = 5 ENCUT = 331.552000 EDIFF = 1.000000e-08 ISMEAR = 0 SIGMA = 1.000000e-02 IALGO = 38 LREAL = .FALSE. ADDGRID = .TRUE. LWAVE = .FALSE. LCHARG = .FALSE. NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma 1 1 2 0.000 0.000 0.000